1-(2-phenyl-1H-indol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2-phenyl-1H-indol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-phenyl-1H-indol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-phenyl-1H-indol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2-phenyl-1H-indol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2-phenyl-1H-indol-3-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-2-8-18-23-21(25-24-18)27-13-17(26)19-15-11-6-7-12-16(15)22-20(19)14-9-4-3-5-10-14/h3-7,9-12,22H,2,8,13H2,1H3,(H,23,24,25)